2-[2-methyl-5-nitro-3-(phenylmethyl)imidazol-4-yl]sulfanyl-1,3-benzothiazole

Systemtic Name: 2-[2-methyl-5-nitro-3-(phenylmethyl)imidazol-4-yl]sulfanyl-1,3-benzothiazole Openeye Name: 2-(3-benzyl-2-methyl-5-nitro-imidazol-4-yl)sulfanyl-1,3-benzothiazole CAS Name: 2-[[2-methyl-5-nitro-3-(phenylmethyl)-4-imidazolyl]thio]-1,3-benzothiazole IUPAC Name: 2-(3-benzyl-2-methyl-5-nitroimidazol-4-yl)sulfanyl-1,3-benzothiazole Traditional Name: 2-[(3-benzyl-2-methyl-5-nitro-imidazol-4-yl)thio]-1,3-benzothiazole Formula: C18H14N4O2S2 MolecularWeight: 382.45936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(N1CC2=CC=CC=C2)SC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=C(N1CC2=CC=CC=C2)SC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C18H14N4O2S2/c1-12-19-16(22(23)24)17(21(12)11-13-7-3-2-4-8-13)26-18-20-14-9-5-6-10-15(14)25-18/h2-10H,11H2,1H3